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	hartrees
Energy at 0K	-17.381545
Energy at 298.15K	-17.383492
Nuclear repulsion energy	20.052920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3090	23.58
2	A'	3071	2974	40.17
3	A'	2255	2184	150.38
4	A'	1483	1437	11.82
5	A'	1339	1297	7.26
6	A'	1013	981	36.76
7	A'	703	681	2.19
8	A'	550	533	0.64
9	A"	3191	3090	28.61
10	A"	1480	1433	14.36
11	A"	923	894	16.59
12	A"	195	189	12.28

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.435	0.000
C2	-0.032	1.588	0.000
H3	1.469	-0.551	0.000
H4	-1.092	1.882	0.000
H5	0.461	1.963	0.907
H6	0.461	1.963	-0.907

	Se1	C2	H3	H4	H5	H6
Se1		2.0228	1.5059	2.5477	2.6110	2.6110
C2	2.0228		2.6132	1.0996	1.0988	1.0988
H3	1.5059	2.6132		3.5324	2.8564	2.8564
H4	2.5477	1.0996	3.5324		1.8006	1.8006
H5	2.6110	1.0988	2.8564	1.8006		1.8139
H6	2.6110	1.0988	2.8564	1.8006	1.8139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	105.519	Se1	C2	H5	109.975
Se1	C2	H6	109.975	C2	Se1	H3	94.421
H4	C2	H5	109.979	H4	C2	H6	109.979
H5	C2	H6	111.259

All results from a given calculation for CH₃SeH (Methane selenol)

using model chemistry: B3LYP/CEP-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Se	0.028
2	C	-0.620
3	H	0.001
4	H	0.193
5	H	0.199
6	H	0.199

	x	y	z	Total
	0.922	1.587	0.000	1.835
CHELPG
AIM
ESP

	x	y	z
x	4.105	-0.301	0.000
y	-0.301	6.164	0.000
z	0.000	0.000	2.342

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH3SeH (Methane selenol)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CH₃SeH (Methane selenol)